Information card for entry 4339410

Structure parameters

• Formula: C35 H54 B F2 Fe K O7 Sn
• Calculated formula: C35 H54 B F2 Fe K O7 Sn
• SMILES: [Sn]1([c]23[Fe]456789%10([cH]2[cH]4[cH]5[c]37[B]([F]1)(c1ccccc1)C)[cH]1[cH]6[cH]9[cH]%10[cH]81)([F][K]12345([O]6CCCC6)[O]6CC[O]3CC[O]2CC[O]4CC[O]5CC[O]1CC6)(C)C
• Title of publication: Simultaneous fluoride binding to ferrocene-based heteronuclear bidentate Lewis acids.
• Authors of publication: Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Lalancette, Roger A.; Kakalis, Lazaros; Jäkle, Frieder
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10174 - 10186
• a: 8.2108 ± 0.0008 Å
• b: 14.6444 ± 0.0014 Å
• c: 16.845 ± 0.0015 Å
• α: 84.698 ± 0.007°
• β: 78.106 ± 0.008°
• γ: 80.765 ± 0.007°
• Cell volume: 1952.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No